CID 10953794

74844-99-8

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

CC1=CC2=CC=CC=C2N=C1N

InChI

InChI=1S/C10H10N2/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3,(H2,11,12)

InChIKey

NCZOVCDTUUZEEA-UHFFFAOYSA-N

Compound name

3-methylquinolin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 158.0844 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	159.09168	131.1
[M+Na]+	181.07362	140.8
[M-H]-	157.07712	134.5
[M+NH4]+	176.11822	151.8
[M+K]+	197.04756	137.2
[M+H-H2O]+	141.08166	124.7
[M+HCOO]-	203.08260	154.5
[M+CH3COO]-	217.09825	145.1
[M+Na-2H]-	179.05907	140.2
[M]+	158.08385	129.8
[M]-	158.08495	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe